mod_rrgen Module
Generates a number of real space vectors to construct the clusters representing the local surrounding of the atoms
Uses
-
- mod_datatypes
Subroutines
public subroutine rrgen(bv1, lsurf, rr, nrd)
- License
- Category
- geometry, input-output, KKRhost
G e n e r a t e s
a
n u m b e r
o f
r e a l
s p a c e
v e c t o r s
t o
c o n s t r u c t
t h e
c l u s t e r s
r e p r e s e n t i n g
t h e
l o c a l
s u r r o u n d i n g
o f
t h e
a t o m s
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp), | intent(in) | :: | bv1(3,3) | |||
| logical, | intent(in) | :: | lsurf | |||
| real(kind=dp), | intent(out) | :: | rr(3,0:nrd) | |||
| integer, | intent(inout) | :: | nrd |